SCHEMBL30992185

SCHEMBL30992185

CCOC(CC(C(=O)OC)(c1ccccc1)c1ccc(C)cc1)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
OPRD1 P41143 2/20 0.45
KCNN4 O15554 1/20 0.43
KIF11 P52732 5/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GRIN2D O15399 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
CACNA1F O60840 1/20 0.37
ABCB1 P08183 1/20 0.37
CYP2B6 P20813 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
OPRK1 P41145 1/20 0.37
CACNA1D Q01668 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30992195 0.95 MEN1 (0.37) OPRM1MEN1KMT2AOPRD1KCNN4
SCHEMBL30992192 0.93 KCNN4 (0.49) OPRM1MEN1KMT2AOPRD1KCNN4
SCHEMBL30992202 0.90 KCNN4 (0.43) OPRM1MEN1KMT2AOPRD1KCNN4
SCHEMBL30992193 0.89 OPRM1 (0.45) OPRM1MEN1KMT2AOPRD1KCNN4
SCHEMBL30992204 0.88 KCNN4 (0.42) OPRM1MEN1KMT2AOPRD1KCNN4
SCHEMBL30992190 0.88 OPRM1 (0.46) OPRM1MEN1KMT2AOPRD1KCNN4
SCHEMBL30992184 0.88 KCNN4 (0.42) OPRM1MEN1KMT2AOPRD1KCNN4
SCHEMBL30992196 0.88 KIF11 (0.44) OPRM1MEN1KMT2AOPRD1KCNN4
SCHEMBL30992186 0.84 KDM4E (0.44) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL30992206 0.82 GRIN2D (0.43) OPRM1MEN1KMT2AGRIN2DGRIN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118373738-A Method for preparing gamma-aldehyde carboxylic ester by carbon dioxide 常州大学 2024-07-23 CN disclosed